6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate

C9H12F3NO2 — CID 155670355

IUPAC6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CC2(CCNC2)C1)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)7(14)15-6-3-8(4-6)1-2-13-5-8/h6,13H,1-5H2
InChIKeyOIHLLZCLFIJSEN-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.23
Rot. Bonds1

About 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate

6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate (PubChem CID 155670355) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
PubChem CID155670355
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CC2(CCNC2)C1)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)7(14)15-6-3-8(4-6)1-2-13-5-8/h6,13H,1-5H2
InChIKeyOIHLLZCLFIJSEN-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 90185681
5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate
CID 156635663
N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate
CID 171922421
7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;propane
CID 145233949
6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 171397252
[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-5-azaspiro[2.5]octan-2-yl] 2,2,2-trifluoroacetate
CID 171774382
7-azaspiro[3.5]nonan-2-yl 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate
CID 122689779
(2,2,2-trifluoroacetyl) 4-fluoropiperidine-4-carboxylate
CID 174230111
(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate
CID 162512096
(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 96850483
2-azaspiro[4.4]nonane-8-carbonyl iodide
CID 171847077

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate?
The IUPAC name of 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate (CID 155670355) is 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate is O=C(OC1CC2(CCNC2)C1)C(F)(F)F.
What is the InChIKey of 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate?
The InChIKey is OIHLLZCLFIJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)7(14)15-6-3-8(4-6)1-2-13-5-8/h6,13H,1-5H2.
What are the key properties of 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate?
6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate has a molecular weight of 223.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 155670355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).